2J COC Spin−Spin Coupling Constants Across Glycosidic Linkages Exhibit a Valence Bond-Angle Dependence

Angular dependence of geminal spin–spin

Angular dependence of geminal spin–spin coupling constants in a prototype CH2 group. J(H,H) versus interbond angle in methane

✍ Jan Geertsen; Jens Oddershede; William T. Raynes 📂 Article 📅 1993 🏛 John Wiley and Sons 🌐 English ⚖ 383 KB

## Abstract Correlated __ab initio__ calculations of the dependences of the proton–proton spin–spin coupling constant __J__(H~1~, __H__~2~) in methane with the variation of the H~1~CH~2~ interbond angle are reported. The other coupling constants, including __J__(C, H), were simultaneously calcula